4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide

C33H31FN4O5 — CID 58073370

IUPAC4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C33H31FN4O5/c1-37(2)32(40)23-4-9-26(10-5-23)42-28-15-17-38(18-16-28)33(41)24-6-13-29(35-21-24)30(39)19-22-3-14-31(36-20-22)43-27-11-7-25(34)8-12-27/h3-14,20-21,28H,15-19H2,1-2H3
InChIKeyVTNRPLXTJFOZBA-UHFFFAOYSA-N
MW582.63 g/mol
LogP5.22
Rot. Bonds9

About 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide

4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide (PubChem CID 58073370) has the molecular formula C33H31FN4O5 and a molecular weight of 582.63 g/mol. Its IUPAC name is 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide
PubChem CID58073370
Molecular FormulaC33H31FN4O5
Molecular Weight582.63 g/mol
Exact Mass582.23
IUPAC Name4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C33H31FN4O5/c1-37(2)32(40)23-4-9-26(10-5-23)42-28-15-17-38(18-16-28)33(41)24-6-13-29(35-21-24)30(39)19-22-3-14-31(36-20-22)43-27-11-7-25(34)8-12-27/h3-14,20-21,28H,15-19H2,1-2H3
InChIKeyVTNRPLXTJFOZBA-UHFFFAOYSA-N
XLogP5.22
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide with MolForge

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Related Compounds

example 31 [WO2018183145]
CID 135349311
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-[(6-{2-[2-(4-Morpholinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274699
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperazine-1-carbonyl)picolinamide
CID 56650669
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710293
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide (CID 58073370) is 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1.
What is the InChIKey of 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide?
The InChIKey is VTNRPLXTJFOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O5/c1-37(2)32(40)23-4-9-26(10-5-23)42-28-15-17-38(18-16-28)33(41)24-6-13-29(35-21-24)30(39)19-22-3-14-31(36-20-22)43-27-11-7-25(34)8-12-27/h3-14,20-21,28H,15-19H2,1-2H3.
What are the key properties of 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide?
4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide has a molecular weight of 582.63 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-3-carbonyl]piperidin-4-yl]oxy-N,N-dimethylbenzamide is sourced from PubChem (CID 58073370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).